N-(3-chlorophenyl)-4-(methylamino)butanamide

C11H15ClN2O — CID 60843448

IUPACN-(3-chlorophenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-13-7-3-6-11(15)14-10-5-2-4-9(12)8-10/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,15)
InChIKeyWWEBUIVZNNXIRO-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.28
Rot. Bonds5

About N-(3-chlorophenyl)-4-(methylamino)butanamide

N-(3-chlorophenyl)-4-(methylamino)butanamide (PubChem CID 60843448) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(methylamino)butanamide
PubChem CID60843448
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(3-chlorophenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-13-7-3-6-11(15)14-10-5-2-4-9(12)8-10/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,15)
InChIKeyWWEBUIVZNNXIRO-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
methyl 5-(3-chloroanilino)-5-oxopentanoate
CID 3987569
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
N-(3-ethylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119787006
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 39887824
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380
N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012094
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670737

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(3-chlorophenyl)-4-(methylamino)butanamide (CID 60843448) is N-(3-chlorophenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-(methylamino)butanamide?
The InChIKey is WWEBUIVZNNXIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-13-7-3-6-11(15)14-10-5-2-4-9(12)8-10/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,15).
What are the key properties of N-(3-chlorophenyl)-4-(methylamino)butanamide?
N-(3-chlorophenyl)-4-(methylamino)butanamide has a molecular weight of 226.71 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 60843448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).